1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C15H15N5O — CID 21365956

IUPAC1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C15H15N5O/c1-2-17-15(21)20-14-18-12-6-5-10(8-13(12)19-14)11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyKWSSMBHDMXPYIA-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.77
Rot. Bonds3

About 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 21365956) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID21365956
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C15H15N5O/c1-2-17-15(21)20-14-18-12-6-5-10(8-13(12)19-14)11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyKWSSMBHDMXPYIA-UHFFFAOYSA-N
XLogP2.77
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 21365956) is 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2ccc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is KWSSMBHDMXPYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-17-15(21)20-14-18-12-6-5-10(8-13(12)19-14)11-4-3-7-16-9-11/h3-9H,2H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 281.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 21365956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).